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5495-84-1

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5495-84-1 Usage

Chemical Properties

2-Isopropylthioxanthone is light yellow solid with general solubility, effective at low concentration. The absorption wavelength is 250~400nm.

Uses

2-Isopropylthioxanthone is a thioxanthone derivative useful as photoinitiators.

Application

2-Isopropylthioxanthone has been used as an analytical standard for the determination of the analyte in packaged food materials using liquid chromatography-tandem mass spectrometry (LC–MS/MS). It may be used as an analytical standard for the determination of the analyte in milk, fruit drinks and packaged beverages by high performance liquid chromatography (HPLC) coupled to MS/MS and micellar electrokinetic chromatography techniques (MEKC).

General Description

2-Isopropylthioxanthone is a compound, which can play the role of a sulfur type photoinitiator in printing industries and UV-cured inks for food packaging materials.

Check Digit Verification of cas no

The CAS Registry Mumber 5495-84-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,9 and 5 respectively; the second part has 2 digits, 8 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 5495-84:
(6*5)+(5*4)+(4*9)+(3*5)+(2*8)+(1*4)=121
121 % 10 = 1
So 5495-84-1 is a valid CAS Registry Number.
InChI:InChI=1/C16H14OS/c1-10(2)11-7-8-15-13(9-11)16(17)12-5-3-4-6-14(12)18-15/h3-10H,1-2H3

5495-84-1 Well-known Company Product Price

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  • Sigma-Aldrich

  • (34221)  2-Isopropylthioxanthone  analytical standard

  • 5495-84-1

  • 34221-50MG

  • 1,007.37CNY

  • Detail

5495-84-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Isopropylthioxanthone

1.2 Other means of identification

Product number -
Other names 2-propan-2-ylthioxanthen-9-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5495-84-1 SDS

5495-84-1Synthetic route

Isopropylbenzene
98-82-8

Isopropylbenzene

2,2'-dithiobenzoic acid
119-80-2

2,2'-dithiobenzoic acid

2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

Conditions
ConditionsYield
With sulfuric acid at 20℃; for 0.5h;99%
With methanesulfonic acid; zinc In chlorobenzene at 115℃;89.5%
2-isopropyl thioxanthene

2-isopropyl thioxanthene

2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

Conditions
ConditionsYield
With tert.-butylnitrite; oxygen; acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,2-dichloro-ethane at 20℃; for 12h; Irradiation;98%
With tert.-butylnitrite; oxygen; acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,2-dichloro-ethane at 20℃; for 12h; Sealed tube; Irradiation;98%
With potassium hexafluorophosphate; iron(III) nitrate monohydrate; oxygen In acetonitrile at 80℃; for 2h; Reagent/catalyst; Temperature; Concentration;96%
In 1,2-dichloro-ethane at 20℃; for 2h; UV-irradiation;75%
With air In 1,2-dichloro-ethane at 20℃; for 2h; UV-irradiation;75%
2-(4-isopropylphenylthio)benzoic acid
5495-75-0

2-(4-isopropylphenylthio)benzoic acid

2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

Conditions
ConditionsYield
With sulfuric acid In cyclohexane Solvent; Temperature; Reflux;91%
Isopropylbenzene
98-82-8

Isopropylbenzene

2-chlorosulfenylbenzoyl chloride
3950-02-5

2-chlorosulfenylbenzoyl chloride

A

4-isopropylthioxanthone

4-isopropylthioxanthone

B

2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

Conditions
ConditionsYield
iron(III) chloride In 1,2-dichloro-ethane at 20℃; for 0.5h; Product distribution / selectivity; Friedel Crafts Acylation;A 9.8%
B 88.2%
aluminum (III) chloride In 1,2-dichloro-ethane at -10 - 25℃; for 1 - 1.25h; Product distribution / selectivity; Friedel Crafts Acylation;A 11.2%
B 76%
Isopropylbenzene
98-82-8

Isopropylbenzene

2,2'-dithiobenzoic acid
119-80-2

2,2'-dithiobenzoic acid

Benzotrichlorid
98-07-7

Benzotrichlorid

A

4-isopropylthioxanthone

4-isopropylthioxanthone

B

2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C

3-isopropylthioxanthone

3-isopropylthioxanthone

Conditions
ConditionsYield
Stage #1: 2,2'-dithiobenzoic acid; Benzotrichlorid With iron(III) chloride In chlorobenzene at 100℃; for 1h; Inert atmosphere;
Stage #2: Isopropylbenzene With aluminum (III) chloride In trans-1,2-dichloroethylene at 20℃; for 1h; Inert atmosphere; Overall yield = 32.8 g;
2-chloro-2'-ethoxy-5'-isopropylbenzophenone

2-chloro-2'-ethoxy-5'-isopropylbenzophenone

2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

Conditions
ConditionsYield
With copper; sodium carbonate; sulfur In 1,2-dichloro-ethane Solvent; Reagent/catalyst; Reflux;20.8 g
2-chloro-2'-methoxy-5'-isopropylbenzophenone

2-chloro-2'-methoxy-5'-isopropylbenzophenone

2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

Conditions
ConditionsYield
With copper; sulfur; sodium hydroxide In 1,2-dichloro-ethane Solvent; Reagent/catalyst; Reflux;20 g
2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

2-isopropyl-9H-thioxanthen-9-one 10,10-dioxide
210295-96-8

2-isopropyl-9H-thioxanthen-9-one 10,10-dioxide

Conditions
ConditionsYield
With Oxone In methanol; water Heating / reflux;82%
2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

2-isopropylthioxanthone sulphoxide
482662-60-2

2-isopropylthioxanthone sulphoxide

Conditions
ConditionsYield
With cerium(IV)diammonium nitrate In water; acetonitrile at 20℃; for 2.5h;52.3%
With ammonium cerium(IV) nitrate In water; acetonitrile at 20℃; for 2.5h;52.3%
With dihydrogen peroxide; trifluoroacetic acid In water at 0 - 23℃; for 12.25h;
2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C29H26OS

C29H26OS

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sodium tetrahydroborate; methanol
2.1: perchloric acid / toluene; water
3.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -84 °C / Sealed tube; Inert atmosphere
3.2: 1 h / 20 °C
View Scheme
2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C30H28OS

C30H28OS

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium tetrahydroborate; methanol
2: perchloric acid / toluene; water
3: 0.5 h / 20 °C
View Scheme
2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C24H24OS

C24H24OS

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sodium tetrahydroborate; methanol
2.1: thionyl chloride / Inert atmosphere; Cooling with ice
2.2: Inert atmosphere
3.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -84 °C / Inert atmosphere
3.2: 1 h / 120 °C
View Scheme
2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C25H26OS

C25H26OS

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sodium tetrahydroborate; methanol
2.1: thionyl chloride / Inert atmosphere; Cooling with ice
2.2: Inert atmosphere
3.1: 2 h / 20 °C
View Scheme
2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C16H16OS

C16H16OS

Conditions
ConditionsYield
With methanol; sodium tetrahydroborate
2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

9-(phenylthio)-2-isopropyl-9H-thioxanthene

9-(phenylthio)-2-isopropyl-9H-thioxanthene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium tetrahydroborate; methanol
2: perchloric acid / toluene; water
View Scheme
2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

9-(methylthio)-2-isopropyl-9H-thioxanthene

9-(methylthio)-2-isopropyl-9H-thioxanthene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: sodium tetrahydroborate; methanol
2.1: thionyl chloride / Inert atmosphere; Cooling with ice
2.2: Inert atmosphere
View Scheme
2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C27H27O6S(1+)*CF3O3S(1-)

C27H27O6S(1+)*CF3O3S(1-)

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: trifluoroacetic acid; dihydrogen peroxide / water / 12.25 h / 0 - 23 °C
2.1: chloroform / 0.5 h / 23 °C
2.2: 2.25 h / 5 - 23 °C
View Scheme
2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C26H24O6S

C26H24O6S

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: trifluoroacetic acid; dihydrogen peroxide / water / 12.25 h / 0 - 23 °C
2.1: chloroform / 0.5 h / 23 °C
2.2: 2.25 h / 5 - 23 °C
3.1: sodium hydroxide; water / chloroform / 1.5 h / 23 °C
View Scheme
2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C25H22O6S

C25H22O6S

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: trifluoroacetic acid; dihydrogen peroxide / water / 12.25 h / 0 - 23 °C
2.1: chloroform / 0.5 h / 23 °C
2.2: 2.25 h / 5 - 23 °C
3.1: sodium hydroxide; water / chloroform / 1.5 h / 23 °C
View Scheme
2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C26H25O6S(1+)*CF3O3S(1-)

C26H25O6S(1+)*CF3O3S(1-)

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: trifluoroacetic acid; dihydrogen peroxide / water / 12.25 h / 0 - 23 °C
2.1: chloroform / 0.5 h / 23 °C
2.2: 2.25 h / 5 - 23 °C
View Scheme
2-isopropyl-9H-thioxanthen-9-one
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C25H22O4S

C25H22O4S

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: trifluoroacetic acid; dihydrogen peroxide / water / 12.25 h / 0 - 23 °C
2.1: trifluorormethanesulfonic acid / chloroform / 0.5 h / 23 °C
2.2: 6.25 h / 5 - 23 °C
View Scheme

5495-84-1Relevant articles and documents

Ultraviolet-light-induced aerobic oxidation of benzylic C(sp3)-H of alkylarenes under catalyst- and additive-free conditions

Zhou, Jiacheng,Li, Meichao,Li, Tianci,Li, Chunmei,Hu, Xinquan,Jin, Liqun,Sun, Nan,Hu, Baoxiang,Shen, Zhenlu

, (2021/02/01)

A mild and efficient system has been discovered for the synthesis of α-aryl carbonyl compounds via oxidation of benzylic C–H to C[dbnd]O bonds. This ultraviolet-light-mediated oxygenation reaction exhibited excellent substrate scope including various xanthenes, thioxanthenes and 9, 10-dihydroacridines and afforded the corresponding ketones with good to excellent yields under catalyst- and additive-free conditions at room temperature.

Preparation process of photoinitiator 2-/4-isopropyl thioxanthone

-

Paragraph 0022-0025, (2022/01/10)

The invention provides a preparation process of a photoinitiator 2-/4-isopropyl thioxanthone, which comprises the following steps: by taking dithiobenzoic acid as a raw material, and carrying out substitution condensation on an intermediate 2-chloromercaptobenzoyl chloride and isopropyl benzene under an anhydrous condition by taking a boron trifluoride complexing agent as a condensing agent; after condensation, carrying out reduced-pressure solvent removal, water washing treatment and high-vacuum distillation to obtain a 2-/4-isopropyl thioxanthone crude product, and refining the crude product to obtain a 2-/4-isopropyl thioxanthone refined product. The method has the advantages that generation of three wastes is greatly reduced, the production cost is reduced, the sewage treatment pressure is reduced, the production efficiency is improved, and the method is suitable for mass production of products.

2 - Isopropyl thioxanthone preparation method

-

Paragraph 0020; 0042-0044; 0045-0047; 0051-0053; 0054-0056, (2019/10/23)

The invention relates to and provides a method for preparing 2-isopropyl thioxanthone by enabling raw material 2-chloro-2'-methoxy-5'-isopropyl diphenyl ketone or 2-chloro-2'-ethoxy-5'-isopropyl diphenyl ketone to react with powdered sulfur in the presence of an alkaline substance and copper powder. The method provided by the invention is a process for preparing 2-isopropyl thioxanthone with the advantages of no use of a solvent difficult to recycle, high content, few impurities, fast reaction, low raw material consumption and simple and convenient aftertreatment.

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